Home > Products > Materials Science P35 > 1,3,3-Trimethylindolino-beta-naphthopyrylospiran

1,3,3-Trimethylindolino-beta-naphthopyrylospiran

Catalog Number: EVT-325808

CAS Number: 1592-43-4

Molecular Formula: C23H21NO

Molecular Weight: 327.4 g/mol

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Product Introduction

Description

1,3,3-Trimethylindolino-beta-naphthopyrylospiran is a chemical compound with the molecular formula C23H21NO. It is also known by other names such as 1’,3’,3’-trimethylspiro [benzo [f]chromene-3,2’-indole] and 1,3,3-Trimethylspiro [indoline-2,3’- [3H]naphth [2,1-b]pyran].

Molecular Structure Analysis

The molecular weight of 1,3,3-Trimethylindolino-beta-naphthopyrylospiran is 327.4 g/mol. The InChI code for this compound is 1S/C23H21NO/c1-22(2)19-10-6-7-11-20(19)24(3)23(22)15-14-18-17-9-5-4-8-16(17)12-13-21(18)25-23/h4-15H,1-3H3. The canonical SMILES for this compound is CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=CC5=CC=CC=C54)C)C.

Physical And Chemical Properties Analysis

1,3,3-Trimethylindolino-beta-naphthopyrylospiran is a white to almost white powder or crystal. It has a melting point of 174 °C. The compound has a topological polar surface area of 12.5 Å². It also has an XLogP3-AA value of 6.2, which is a measure of its lipophilicity.

Properties

CAS Number

1592-43-4

Product Name

1,3,3-Trimethylindolino-beta-naphthopyrylospiran

IUPAC Name

1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]

Molecular Formula

C23H21NO

Molecular Weight

327.4 g/mol

InChI

InChI=1S/C23H21NO/c1-22(2)19-10-6-7-11-20(19)24(3)23(22)15-14-18-17-9-5-4-8-16(17)12-13-21(18)25-23/h4-15H,1-3H3

InChI Key

DTQKEQFXLWFVCS-UHFFFAOYSA-N

SMILES

CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=CC5=CC=CC=C54)C)C

Canonical SMILES

CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=CC5=CC=CC=C54)C)C

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